Glycoside
GD153437
Name:
1-hydroxy-2-[(3-hydroxyphenyl)methyl]-6-methoxy-3-methyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracene-9,10-dioneFormula:
C29H28O11Smiles:
COc1cc(OC2OC(CO)C(O)C(O)C2O)c2c(c1)C(=O)c1cc(C)c(Cc3cccc(O)c3)c(O)c1C2=OAglycone:
COc1cc(O)c2c(c1)C(=O)c1cc(C)c(Cc3cccc(O)c3)c(O)c1C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.31 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 6 |
| MolWt: | 552.53 | Num_heavy_atoms: | 40 |
| TPSA: | 183.21 | NumAromaticRings: | 3 |
Unique Aglycone
AD61024
Formula: C23H18O6
Smiles:
COc1cc(O)c2c(c1)C(=O)c1cc(C)c(Cc3cccc(O)c3)c(O)c1C2=O| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.13 |
| AlogP: | 3.49 | Num_rotatable_bonds: | 3 |
| MolWt: | 390.39 | Num_heavy_atoms: | 29 |
| TPSA: | 104.06 | NumAromaticRings: | 3 |
